1,4-Dibenzyloxybenzene

Base Information

• Chemical Name: 1,4-Dibenzyloxybenzene
• CAS No.: 621-91-0
• Molecular Formula: C20H18O2
• Molecular Weight: 290.362
• Hs Code.: 29093090
• European Community (EC) Number: 210-714-6
• NSC Number: 2206
• UNII: F2R27VKV3U
• DSSTox Substance ID: DTXSID70211161
• Nikkaji Number: J94.898E
• Wikidata: Q72463645
• Mol file: 621-91-0.mol

Synonyms:1,4-Dibenzyloxybenzene;621-91-0;1,4-Bis(benzyloxy)benzene;Hydroquinone dibenzyl ether;Benzene, 1,4-bis(phenylmethoxy)-;1,4-bis(phenylmethoxy)benzene;NSC 2206;AI3-14510;NSC-2206;EINECS 210-714-6;NSC2206;p-dibenzyloxybenzene;Hydrochinon-dibenzylather;F2R27VKV3U;Oprea1_033290;SCHEMBL339813;1,4-Bis(benzyloxy)benzene #;P-BIS(BENZYLOXY)BENZENE;DTXSID70211161;MFCD00016875;STK393945;AKOS003646445;BS-42427;CS-0064288;D0159;FT-0606842;D89605;A833634;AK-918/41700489;SR-01000395915;SR-01000395915-1;W-105035

Chemical Property of 1,4-Dibenzyloxybenzene

Chemical Property:

• Vapor Pressure: 1.39E-07mmHg at 25°C
• Melting Point: 128 °C
• Refractive Index: 1.6
• Boiling Point: 441.7 °C at 760 mmHg
• Flash Point: 173.4 °C
• PSA: 18.46000
• Density: 1.121 g/cm⁴⁸
• LogP: 4.84460
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 290.130679813
• Heavy Atom Count: 22
• Complexity: 254

Purity/Quality:

98% ^*data from raw suppliers

1,4-Dibenzyloxybenzene ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)OCC3=CC=CC=C3
• Uses: Solvent; perfumes, soap, plastics, and pharmaceuticals.

Technology Process of 1,4-Dibenzyloxybenzene

There total 9 articles about 1,4-Dibenzyloxybenzene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

4-Benzyloxyphenol (103-16-2) + benzyl bromide (100-39-0) → 1,4-dibenzyloxybenzene (621-91-0)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 10h;

DOI:10.1248/cpb.51.320

Reference yield: 88.0%

benzyl bromide (100-39-0) + hydroquinone (123-31-9,8027-02-9) → 1,4-dibenzyloxybenzene (621-91-0)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 50 ℃; for 16h; Inert atmosphere;

DOI:10.1002/anie.201902272

Reference yield: 72.0%

benzyl chloride (100-44-7) + hydroquinone (123-31-9,8027-02-9) → 1,4-dibenzyloxybenzene (621-91-0)

Guidance literature:

With potassium hydroxide; In ethanol; at 20 ℃; for 12h;

DOI:10.1039/c3cc42489h

upstream raw materials:

benzyl bromide

hydroquinone

benzyl chloride

p-benzoquinone

Downstream raw materials:

1,4-bis(4-methoxybenzyloxy)benzene

1,4-bis(4-(trifluoromethoxy)benzyloxy)benzene

hydroquinone

toluene

Refernces

• 1、 Bartos, Paulina,Chrostowska, Anna,Hande, Aniket A.,Kaszyński, Piotr,Pietrzak, Anna. "Substituent effects on the electronic structure of the flat Blatter radical: Correlation analysis of experimental and computational data". supporting information. p. 22876 - 22887. Retrieved 2021/12/24.
• 2、 Caldwell, Stuart T.,Cairns, Andrew G.,Olson, Marnie,Chalmers, Susan,Sandison, Mairi,Mullen, William,McCarron, John G.,Hartley, Richard C.. "Synthesis of an azido-tagged low affinity ratiometric calcium sensor". . p. 9571 - 9578. Retrieved 2015/12/01.